Di-tert-pentyl disulphide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    34965-30-5

    Molecular formula
    C10H22S2

    SMILES
    CCC(C)(C)SSC(C)(C)CC

  • Odor profile

    Fragrance
    Sulfurous 93.44%
    Green 86.67%
    Vegetable 77.97%
    Meaty 77.22%
    Alliaceous 71.68%
    Savory 60.67%
    Onion 56.16%
    Tropical 49.86%
    Garlic 44.36%
    Roasted 40.93%

     

    Flavor
    Sulfurous 42.81%
    Green 38.63%
    Meaty 27.55%
    Sulfury 26.69%
    Earthy 26.2%
    Burnt 24.96%
    Onion 24.32%
    Blackberry 22.77%
    Black currant 21.67%
    Catty 21.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.86 (neutral)

    Molecular weight
    206.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    237°C

    Flash point

    • 90.77 ˚C est.

  • Synonyms

    • Di-tert-pentyl disulphide
    • 34965-30-5
    • 2-methyl-2-(2-methylbutan-2-yldisulfanyl)butane
    • EINECS 252-303-4
    • di-tert-amyl disulfide
    • Disulfide, bis(1,1-dimethylpropyl)
    • dimethyl-propyl-disulfide
    • SCHEMBL775632
    • OGTZMPFMCIZSIB-UHFFFAOYSA-
    • DTXSID60188510
    • 2-Methyl-2-(tert-pentyldisulfanyl)butane #
    • NS00029754
    • InChI=1/C10H22S2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3

  • Applications

    Di-tert-pentyl disulphide is used as an odorant and fragrance component in perfumery, often functioning as a fixative, and it may appear in cosmetics and personal care products for scent characteristics. It can serve as an intermediate in organic synthesis for sulphur-containing compounds and may be evaluated as a processing additive or reagent in polymer chemistry under appropriate formulation limits. In industrial manufacturing, it is employed as a chemical intermediate for the synthesis of specialty sulphur compounds. It may also be considered as a fragrance ingredient in certain household products such as air fresheners and cleaners, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.26
    methanol 44.08
    isopropanol 154.97
    water 0.08
    ethyl acetate 548.48
    n-propanol 152.34
    acetone 686.29
    n-butanol 169.16
    acetonitrile 243.74
    DMF 913.99
    toluene 792.35
    isobutanol 172.47
    1,4-dioxane 907.53
    methyl acetate 588.13
    THF 1917.07
    2-butanone 795.49
    n-pentanol 147.14
    sec-butanol 210.36
    n-hexane 139.04
    ethylene glycol 15.32
    NMP 1391.6
    cyclohexane 394.33
    DMSO 473.52
    n-butyl acetate 936.08
    n-octanol 333.3
    chloroform 1384.9
    n-propyl acetate 475.06
    acetic acid 128.74
    dichloromethane 958.91
    cyclohexanone 1635.64
    propylene glycol 55.13
    isopropyl acetate 518.63
    DMAc 1066.45
    2-ethoxyethanol 183.33
    isopentanol 197.49
    n-heptane 297.15
    ethyl formate 274.18
    1,2-dichloroethane 641.7
    n-hexanol 359.86
    2-methoxyethanol 237.7
    isobutyl acetate 451.57
    tetrachloromethane 353.51
    n-pentyl acetate 604.42
    transcutol 667.48
    n-heptanol 251.2
    ethylbenzene 490.88
    MIBK 500.82
    2-propoxyethanol 438.53
    tert-butanol 321.18
    MTBE 633.01
    2-butoxyethanol 319.32
    propionic acid 180.8
    o-xylene 634.68
    formic acid 14.34
    diethyl ether 388.28
    m-xylene 593.42
    p-xylene 766.45
    chlorobenzene 897.54
    dimethyl carbonate 256.14
    n-octane 147.74
    formamide 40.2
    cyclopentanone 1992.78
    2-pentanone 639.64
    anisole 762.71
    cyclopentyl methyl ether 1055.02
    gamma-butyrolactone 1444.2
    1-methoxy-2-propanol 303.86
    pyridine 979.6
    3-pentanone 616.12
    furfural 1070.4
    n-dodecane 122.82
    diethylene glycol 154.26
    diisopropyl ether 289.58
    tert-amyl alcohol 350.49
    acetylacetone 864.35
    n-hexadecane 147.82
    acetophenone 784.76
    methyl propionate 488.82
    isopentyl acetate 966.11
    trichloroethylene 1508.81
    n-nonanol 334.12
    cyclohexanol 434.67
    benzyl alcohol 367.55
    2-ethylhexanol 439.3
    isooctanol 251.67
    dipropyl ether 689.05
    1,2-dichlorobenzene 906.6
    ethyl lactate 212.22
    propylene carbonate 940.07
    n-methylformamide 209.33
    2-pentanol 191.1
    n-pentane 108.5
    1-propoxy-2-propanol 558.61
    1-methoxy-2-propyl acetate 914.94
    2-(2-methoxypropoxy) propanol 524.7
    mesitylene 477.92
    ε-caprolactone 1161.25
    p-cymene 586.33
    epichlorohydrin 1163.56
    1,1,1-trichloroethane 1267.22
    2-aminoethanol 44.59
    morpholine-4-carbaldehyde 1082.53
    sulfolane 1714.25
    2,2,4-trimethylpentane 106.1
    2-methyltetrahydrofuran 1377.11
    n-hexyl acetate 858.52
    isooctane 96.58
    2-(2-butoxyethoxy)ethanol 482.09
    sec-butyl acetate 465.19
    tert-butyl acetate 716.24
    decalin 232.71
    glycerin 62.75
    diglyme 852.67
    acrylic acid 141.81
    isopropyl myristate 548.52
    n-butyric acid 295.36
    acetyl acetate 487.52
    di(2-ethylhexyl) phthalate 375.19
    ethyl propionate 458.51
    nitromethane 415.39
    1,2-diethoxyethane 636.8
    benzonitrile 664.25
    trioctyl phosphate 322.55
    1-bromopropane 542.25
    gamma-valerolactone 1692.34
    n-decanol 277.1
    triethyl phosphate 467.7
    4-methyl-2-pentanol 173.2
    propionitrile 317.31
    vinylene carbonate 709.91
    1,1,2-trichlorotrifluoroethane 663.97
    DMS 670.12
    cumene 374.77
    2-octanol 259.98
    2-hexanone 600.82
    octyl acetate 586.86
    limonene 853.53
    1,2-dimethoxyethane 644.12
    ethyl orthosilicate 432.16
    tributyl phosphate 386.52
    diacetone alcohol 544.17
    N,N-dimethylaniline 645.45
    acrylonitrile 348.4
    aniline 454.02
    1,3-propanediol 84.27
    bromobenzene 1177.21
    dibromomethane 708.85
    1,1,2,2-tetrachloroethane 1378.4
    2-methyl-cyclohexyl acetate 859.89
    tetrabutyl urea 526.23
    diisobutyl methanol 361.18
    2-phenylethanol 557.16
    styrene 568.48
    dioctyl adipate 657.45
    dimethyl sulfate 489.38
    ethyl butyrate 731.65
    methyl lactate 219.7
    butyl lactate 447.34
    diethyl carbonate 499.31
    propanediol butyl ether 321.79
    triethyl orthoformate 638.91
    p-tert-butyltoluene 647.08
    methyl 4-tert-butylbenzoate 752.83
    morpholine 840.6
    tert-butylamine 255.92
    n-dodecanol 238.37
    dimethoxymethane 522.62
    ethylene carbonate 600.79
    cyrene 592.0
    2-ethoxyethyl acetate 614.84
    2-ethylhexyl acetate 937.42
    1,2,4-trichlorobenzene 1169.76
    4-methylpyridine 1149.52
    dibutyl ether 632.76
    2,6-dimethyl-4-heptanol 361.18
    DEF 641.32
    dimethyl isosorbide 1198.53
    tetrachloroethylene 668.53
    eugenol 538.85
    triacetin 818.62
    span 80 559.78
    1,4-butanediol 49.82
    1,1-dichloroethane 839.4
    2-methyl-1-pentanol 184.21
    methyl formate 218.58
    2-methyl-1-butanol 198.31
    n-decane 194.96
    butyronitrile 350.08
    3,7-dimethyl-1-octanol 431.69
    1-chlorooctane 481.36
    1-chlorotetradecane 241.49
    n-nonane 193.49
    undecane 149.86
    tert-butylcyclohexane 227.73
    cyclooctane 221.02
    cyclopentanol 469.56
    tetrahydropyran 1157.49
    tert-amyl methyl ether 558.02
    2,5,8-trioxanonane 678.27
    1-hexene 297.97
    2-isopropoxyethanol 212.84
    2,2,2-trifluoroethanol 72.49
    methyl butyrate 585.27

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction